2-methyl-4-[1-[4-(2-quinolin-6-yloxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-(2-quinolin-6-yloxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-(6-quinolyloxy)ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-(6-quinolinyloxy)ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(2-quinolin-6-yloxyethyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-(6-quinolyloxy)ethyl]piperazino]hexyl]benzonitrile Formula: C29H36N4O MolecularWeight: 456.62234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C29H36N4O/c1-3-4-5-8-29(25-9-10-26(22-30)23(2)20-25)33-16-14-32(15-17-33)18-19-34-27-11-12-28-24(21-27)7-6-13-31-28/h6-7,9-13,20-21,29H,3-5,8,14-19H2,1-2H3